methyl 4-methylsulfanyl-2-(3-nitrooxyhexanoylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(3-nitrooxyhexanoylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(3-nitrooxyhexanoylamino)butanoate CAS Name: 4-(methylthio)-2-[(3-nitrooxy-1-oxohexyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(3-nitrooxyhexanoylamino)butanoate Traditional Name: 4-(methylthio)-2-(3-nitrooxyhexanoylamino)butyric acid methyl ester Formula: C12H22N2O6S MolecularWeight: 322.37788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NC(CCSC)C(=O)OC)O[N+](=O)[O-]

Isomeric SMILES

CCCC(CC(=O)NC(CCSC)C(=O)OC)O[N+](=O)[O-]

InChI

InChI=1S/C12H22N2O6S/c1-4-5-9(20-14(17)18)8-11(15)13-10(6-7-21-3)12(16)19-2/h9-10H,4-8H2,1-3H3,(H,13,15)